N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide

C12H12FN3O — CID 123266244

About N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide (PubChem CID 123266244) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide.

Molecular Properties

• Compound Name: N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
• PubChem CID: 123266244
• Molecular Formula: C12H12FN3O
• Molecular Weight: 233.25 g/mol
• Exact Mass: 233.10
• IUPAC Name: N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
• SMILES: CC(C)(CF)NC(=O)c1[nH]nc2c3cc-3cc12
• InChI: InChI=1S/C12H12FN3O/c1-12(2,5-13)14-11(17)10-8-4-6-3-7(6)9(8)15-16-10/h3-4H,5H2,1-2H3,(H,14,17)(H,15,16)
• InChIKey: VIBNHINXDZITQU-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.25
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?

The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide (CID 123266244) is N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide.

What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?

The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide is CC(C)(CF)NC(=O)c1[nH]nc2c3cc-3cc12.

What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?

The InChIKey is VIBNHINXDZITQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-12(2,5-13)14-11(17)10-8-4-6-3-7(6)9(8)15-16-10/h3-4H,5H2,1-2H3,(H,14,17)(H,15,16).

What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?

N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide is sourced from PubChem (CID 123266244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).